Fourier transform IR and Raman spectra, Normal modes, vibrational energy level of 1H- and 3H-4,6-dimethyl-1,2,3-triazolo[4,5-c]pyridine

Abudelrhman. Faraj, esalm Abo alwafa, abdelsallam Ibrahim, mousa ibrahim & mahdi Almakey (1)
(1) , Libya

Abstract

Fourier transform IR and Raman spectra, Normal modes, vibrational energy level and potential energy distribution (PED) of 1H- and 3H-4,6-dimethyl-1,2,3-triazolo[4,5-c]pyridine tautomers, have been determined using density function theory (DFT) at the B3LYP/6-31G(d,p) level. The results of experimental values obtained agreement with the theoretical model of geometry and vibration levels with the scaling factor ?1-?8= 0.96, ?9-?25= 0.98 and ?26-?52 = 1, respectively, the Optimised bond lengths and bond angles are good agreement with X-ray data of other triazolo-pyridine compounds.

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Authors

Abudelrhman. Faraj, esalm Abo alwafa, abdelsallam Ibrahim, mousa ibrahim & mahdi Almakey
عبدالرحمن فرج عبدالقادر و إسلام عبدالعالي ابوالوفاء و عبدالسلام ابراهيم عبدالسلام. (2018). Fourier transform IR and Raman spectra, Normal modes, vibrational energy level of 1H- and 3H-4,6-dimethyl-1,2,3-triazolo[4,5-c]pyridine. Journal of Pure & Applied Sciences, 16(2). https://doi.org/10.51984/jopas.v16i2.51

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